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(6AR,7R,9AR)-7-[(1R)-1,5-DIMETHYLHEXYL]-1,6A-DIMETHYL-6,6A,7,8,9,9A-HEXAHYDRO-5H-CYCLOPENTA-[H]-QUINOLINIUM-IODIDE
SpectraBase Compound ID 64mL7mIsdlC
InChI InChI=1S/C22H36N.HI/c1-16(2)8-6-9-17(3)19-11-12-20-21-18(10-7-15-23(21)5)13-14-22(19,20)4;/h7,10,15-17,19-20H,6,8-9,11-14H2,1-5H3;1H/q+1;/p-1/t17-,19-,20+,22-;/m1./s1
InChIKey NVJJVTFHAJOBTB-XMGQENSISA-M
Mol Weight 441.4 g/mol
Molecular Formula C22H36IN
Exact Mass 441.189245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2D56EcDYzg3
Name (6AR,7R,9AR)-7-[(1R)-1,5-DIMETHYLHEXYL]-1,6A-DIMETHYL-6,6A,7,8,9,9A-HEXAHYDRO-5H-CYCLOPENTA-[H]-QUINOLINIUM-IODIDE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36IN
InChI InChI=1S/C22H36N.HI/c1-16(2)8-6-9-17(3)19-11-12-20-21-18(10-7-15-23(21)5)13-14-22(19,20)4;/h7,10,15-17,19-20H,6,8-9,11-14H2,1-5H3;1H/q+1;/p-1/t17-,19-,20+,22-;/m1./s1
InChIKey NVJJVTFHAJOBTB-XMGQENSISA-M
Literature Reference Author M.KROJER,M.KELLER,F.BRACHER
Literature Reference Citation SCI.PHARM.,81,329(2013)
Literature Reference DOI 10.3797/scipharm.1303-03
Molecular Weight 441.439 g/mol
Sample ID 73545
Solvent CDCl3